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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02177521

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HCIHYDROCINNAMIC ACIDA,B1BXG0.73
HCIHYDROCINNAMIC ACIDA,B1TOG0.73
HCIHYDROCINNAMIC ACIDA,B1V2F0.73
HCIHYDROCINNAMIC ACIDA,B1AHX0.73
HCIHYDROCINNAMIC ACIDA1TOI0.73
HCIHYDROCINNAMIC ACIDA,B1AY80.73
HCIHYDROCINNAMIC ACIDA1TOJ0.73
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.72
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.72
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.72
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.72
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.72
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.72
CLT4-PHENYL-BUTANOIC ACIDA1THL0.72
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.72
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.72
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.74
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.81
BDBA,B1KE30.77
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.81
5PV5-PHENYLVALERIC ACIDA,B2AY90.74
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.72
FLPFLURBIPROFENA,B,C,D3PGH0.71
FLPFLURBIPROFENA,B1CQE0.71
FLPFLURBIPROFENA,B1EQH0.71
FLPFLURBIPROFENA,B2AYL0.71
FLPFLURBIPROFENA1DVT0.71
FLPFLURBIPROFENA1R9O0.71
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.81
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.81
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID
A2CBS0.81
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.75
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.75
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.75
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.74
DFADIPHENYLACETIC ACIDA,B,C1GMY0.75
PAC2-PHENYLACETIC ACIDB1PNL0.7
PAC2-PHENYLACETIC ACIDB1K5Q0.7
PAC2-PHENYLACETIC ACIDB1FXH0.7
PAC2-PHENYLACETIC ACIDA2ISF0.7
PAC2-PHENYLACETIC ACIDA2INE0.7
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.7
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.7
BFLA,B1Q4G0.73
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.73
IBPIBUPROFENA3FKX0.71
IBPIBUPROFENA,B2BXG0.71
IBPIBUPROFENA,B1EQG0.71
IBPIBUPROFENA,B,C2WD90.71
IBPIBUPROFENA2PWS0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.71
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.71
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.71
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.71